FComEx: beta-Carotene (PC000461)

Record Information

Version

1.0

Creation date

2015-10-09 22:30:48 UTC

Update date

2017-01-19 02:36:25 UTC

FoodComEx ID

PC000461

FoodDB Record

FDB014613

Chemical Information

Name

beta-Carotene

Description

Yellow food colour, dietary supplement, nutrient, Vitamin A precursor. Nutriceutical with antioxidation props. beta-Carotene is found in many foods, some of which are summer savory, gram bean, sunburst squash (pattypan squash), and other bread product.

CAS Number

7235-40-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(all-e)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis	HMDB
(all-e)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-cyclohexene	HMDB
β-Carotene	biospider
β,β-Carotene	biospider
1,1'-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)	ChEBI
all-e-b-Carotene	biospider
all-epsilon-beta-Carotene	biospider
all-trans-b-Carotene	biospider
all-trans-beta-Carotene	biospider
all-trans-β-carotene	Generator
b-Carotene	Generator
b-Karotin	Generator
b,b-Carotene	db_source
beta-Karotin	ChEBI
Betacarotene	biospider
Betacarotene, INN, USAN	db_source
BetaVit	HMDB
C.I. Food Orange 5	biospider
Carotaben	db_source
Carotene base 80S	HMDB
E160a	db_source
Food Orange 5	biospider
KPMK	HMDB
Lucaratin	HMDB
Lucarotin	biospider
Lurotin	biospider
Phenoro	db_source
Provatene	db_source
Provatenol	biospider
Rovimix b-carotene	HMDB
Serlabo	HMDB
Solatene	db_source
trans-b-carotene	biospider
Vetoron	biospider
β-carotene	Generator
β-karotin	Generator

Chemical Formula

C40H56

IUPAC name

1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene

InChI Identifier

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

InChI Key

OENHQHLEOONYIE-JLTXGRSLSA-N

Isomeric SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

Average Molecular Weight

536.888

Monoisotopic Molecular Weight

536.438201803

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Carotenes

Alternative Parents

Substituents